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arXiv:cond-mat/0502126

Correlations in many-body systems with the Stochastic Variational Method

Hans Henrik Brandenborg Sørensen

Published Feb 4, 2005• 3 citations
arXivHTMLPDF

Abstract

Few-body correlations often express the distinguishing characteristic features of a many-body system. This thesis studies such correlations within dilute Bose-Einstein condensates in the case of arbitrary negative s-wave scattering length. The N-boson problem is solved by using an ab-initio approach based on correlated Gaussians that allows explicit inclusion of few-body correlations with a computational complexity that is independent of the number of particles. Calculations introducing all higher-order correlations are also done for small systems. In the weakly interacting regime, two-body correlations are not only the simplest but also the most important. By varying the scattering length and comparing the ground state energy for different explicitly correlated trial wave functions this assumption is investigated under both weakly and strongly interacting conditions.

DOI
10.48550/arxiv.cond-mat/0502126

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Few-body correlations often express the distinguishing characteristic features of a many-body system. This thesis studies such correlations within dilute Bose-Einstein condensates in the case of arbitrary negative s-wave scattering length. The N-boson problem is solved by using an ab-initio approach based on correlated Gaussians that allows explicit inclusion of few-body correlations with a computational complexity that is independent of the number of particles. Calculations introducing all higher-order correlations are also done for small systems. In the weakly interacting regime, two-body correlations are not only the simplest but also the most important. By varying the scattering length and comparing the ground state energy for different explicitly correlated trial wave functions this assumption is investigated under both weakly and strongly interacting conditions.
A two-body correlated basis set is used to develop a many-body theory which is valid for any number of bosons in the trap. The formalism incorporates the van der Waals interaction and two-body correlations in an exact way. The theory has successfully been applied to Bose-Einstein condensates---dilute weakly interacting and also dilute but having a large scattering length. Even in the extreme dilute condition, we observe the breakdown of the shape-independent approximation and the interatomic correlation plays an important role in the large particle-number limit. This correlated many-body calculation can handle, within the two-body correlation approximation, the entire range of atom number of experimentally achieved condensates. Next we successfully push the basis function for large scattering lengths where the mean-field results are manifestly bad. The sharp increase in correlation energy clearly shows the beyond-mean-field effect. We also calculate one-particle densities for various scattering lengths and particle numbers. Our many-body calculation exhibits the finite-size effect in the one-body density.
The low-energy scattering of three bosons or distinguishable particles with short-range interactions is characterized by a fundamental parameter, the three-body scattering hypervolume, which is responsible for the nonuniversal effects in dilute Bose-Einstein condensates. We derive an analytical formula of the three-body scattering hypervolumes for weak interactions. When the interaction supports two-body bound states, the three-body scattering hypervolume gains a negative imaginary part, which is directly related to the rate constant for three-body recombinations. We develop a numerical method to calculate the three-body scattering hypervolumes for some model potentials with variable strengths. For real atoms with van der Waals potential, the three-body scattering hypervolumes are much harder to compute, because the three-body wave function is highly oscillatory at smaller inter-atomic distances. However, they may be extractable from precision data such as the collective-mode frequencies of trapped Bose-Einstein condensates. In many numerical simulations, the system being simulated is put into a large but finite volume, such as a large periodic box of size LLL. To extract the low-energy scattering properties of two particles in infinite space from such simulations, L\\"uscher's formula must be used. In the second part of this thesis, we generalize L\\"uscher's formula to ddd spatial dimensions. We obtain its sss-wave and ppp-wave approximations and the systematic expansions of the energies of the low-lying states. At a sss-wave resonance in dge4d\\ge4dge4 dimensions, we identify two low-lying states close to the threshold with nearly opposite energies, Esimpm1/Ld/2E\\sim \\pm 1/L^{d/2}Esimpm1/Ld/2 when dge5d\\ge 5dge5, or Esimpm1/L2sqrtlnLE \\sim \\pm 1/L^2 \\sqrt{\\ln L}Esimpm1/L2sqrtlnL when d=4d= 4d=4. These calculations provide important insights to the physics of three particles at a three-body resonance in finite volumes in two or three dimensions. Three-body resonances are important phenomena not yet completely explored in the experiments on cold atoms.
Dilute Fermi systems with large sss-wave scattering length as{a}_{s}as​ exhibit universal properties if the interparticle spacing r0{r}_{0}r0​ greatly exceeds the range of the underlying two-body interaction potential. In this regime, r0{r}_{0}r0​ is the only relevant length scale and observables such as the energy per particle depend only on r0{r}_{0}r0​ (or, equivalently, the energy EFG{E}_{\mathrm{FG}}EFG​ of the free Fermi gas). This paper investigates Bose and Fermi systems with nonvanishing angular momentum lll using the lowest order constrained variational method. We focus on the regime where the generalized scattering length becomes large and determine the relevant length scales. For Bose gases with large generalized scattering lengths, we obtain simple expressions for the energy per particle in terms of an lll-dependent length scale ${\ensuremath{\xi}}_{l}$, which depends on the range of the underlying two-body potential and the average interparticle spacing. We discuss possible implications for dilute two-component Fermi systems with finite lll. Furthermore, we determine the equation of state of liquid and gaseous bosonic helium.
The ground state of a system of interacting Bose particles is examined by a pair-correlation variational method based on exact eigenstates of the total particle number, without assuming macroscopic occupation of the single-particle state k = 0 (``simple'' Bose condensation). Known results are recovered in the case of repulsive interactions of weak and intermediate strengths, where the ground state does in fact exhibit simple condensation. But it is shown that in the case of weak attractive interactions the ground state exhibits ``generalized'' condensation, in which a finite fraction of particles have momenta which are macroscopically negligible, but no one single-particle state is macroscopically occupied. A weak-coupling expansion is derived for the ground-state energy in this case, the leading term of which is three times as low as that of the state one would obtain in the case of simple condensation. By the use of a pseudopotential, this result is adapted to the case of a strongly interacting system with a small negative scattering length α and fixed low density ρ, giving E0/n=−(6π ℏ2 ρ | α | /m)[1−(128/45) π−1/2(ρ | α | 3)1/2+…]. The relationships between equilibrium density, ground-state energy, and sound velocity predicted by this expression are in order-of-magnitude agreement with those obtaining for liquid He4.
This thesis is devoted to the rigorous study of dilute Bose gases with two-body and three-body interactions at zero temperature in two and three dimensions. Bose gases are many-body quantum systems composed of bosons, which notably do not obey the Pauli exclusion principle. As a consequence, at extremely low temperatures, a macroscopic fraction of the particles can occupy the same one-body quantum state. This phenomenon, known as Bose–Einstein condensation, was predicted in the 1920s by Bose and Einstein for noninteracting Bose gases, and first realised experimentally by the groups of Cornell and Wieman, and Ketterle, earning them the Nobel Prize for Physics in 2001. However, proving the occurrence of Bose–Einstein condensation in general interacting bosonic systems remains a major open problem and constitutes a central theme in this thesis. Another important property of bosonic matter is that it is generally more unstable than fermionic matter. In particular, for systems interacting via the Coulomb force, the Pauli exclusion principle is essential for explaining the stability of the second kind, which states that the energy and volume scale linearly with the number of particles. Nonetheless, bosonic systems with attractive but less singular interactions can also be stable, and the rigorous proof of this fact forms a second focus of this thesis. In three dimensions, we consider predominantly repulsive interactions. Firstly, we prove a leading order upper bound on the thermodynamic ground state energy of Bose gases with hard-core three-body interactions, which matches an existing lower bound. In addition, we obtain a simpler proof for integrable potentials. Secondly, we derive the leading order of the thermodynamic ground state energy of Bose gases with combined two-body and three-body interactions. More specifically, we show that, at the leading order, the ground state energy is entirely characterised by the scattering length of the two-body potential and the scattering hypervolume of the three-body potential. Thirdly, we study the time evolution of Bose–Einstein condensates with three-body interactions in the so-called Gross–Pitaevskii regime. We show that Bose–Einstein condensation is preserved under many-body evolution and that the condensate wavefunction evolves according to the quintic Gross–Pitaevskii equation. In particular, we show that the effective coupling constant is universal in the sense that it depends only on the scattering hypervolume of the interaction potential. As a by-product of our proof, we derive a stability of the second kind result for Bose gases with attractive two-body interactions and repulsive three-body interactions. In two dimensions, we consider trapped Bose gases with mean-field-type interactions, including the purely attractive case. We prove the stability of the second kind of the system and the convergence of the ground state energy per particle to that of a non-linear Schrödinger energy functional. As a consequence of the stability of the second kind, we also obtain Bose–Einstein condensation for the many-body ground states.